SCHEMBL3830003

SCHEMBL3830003

CCC(=O)c1cc[c]c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.39
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HMGCR P04035 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8763459 0.88 ATM (0.44) KMT2AMEN1KDM4ESMN1; SMN2HPGD
SCHEMBL8134192 0.87 HSD17B3 (0.43) KMT2AMEN1SMN1; SMN2HPGDNPC1
SCHEMBL8121019 0.82 ALDH1A1 (0.42) HPGDALDH1A1L3MBTL1POLBTDP1
SCHEMBL9676481 0.82 CYP1A2 (0.47) KMT2AMEN1HPGDNPC1RAB9A
SCHEMBL2422430 0.80 TPMT (0.48) KDM4ENPC1RAB9AHTT
SCHEMBL221066 0.80 ALDH1A1 (0.42) KMT2AMEN1SMN1; SMN2HPGDNPC1
SCHEMBL4775443 0.80 HSD17B2 (0.53) KMT2AKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL26688583 0.79 SMN1; SMN2 (0.43) KMT2AMEN1SMN1; SMN2HPGDRAB9A
SCHEMBL3964444 0.79 CA1 (0.47) KMT2AMEN1KDM4ESMN1; SMN2HPGD
SCHEMBL358188 0.79 PARP1 (0.49) HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951217-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-12 EP disclosed
EP-1951217-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062148-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed
EP-0763524-B1 Urea and amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prophylactic use SANKYO CO (JP) 2000-08-23 EP disclosed
US-6040339-A TREATMENT AND PROPHYLAXIS OF HYPERCHOLESTEREMIA OR ARTERIOSCLEROSIS IN A MAMMAL SANKYO COMPANY, LIMITED (JP) 2000-03-21 US disclosed
US-5880147-A Amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prohylactic use SANKYO COMPANY, LIMITED (JP) 1999-03-09 US disclosed
EP-0763524-A1 Urea and amide derivatives having ACAT inhibitory activity, their preparation and their therapeutic and prophylactic use SANKYO COMPANY LIMITED (JP) 1997-03-19 EP disclosed